2-methoxy-1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone

C26H30N4O3 — CID 54759926

IUPAC2-methoxy-1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(c2cccnc2OC2CC(Nc3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C26H30N4O3/c1-32-17-25(31)30-13-10-18(11-14-30)22-6-4-12-27-26(22)33-21-15-20(16-21)28-24-9-8-19-5-2-3-7-23(19)29-24/h2-9,12,18,20-21H,10-11,13-17H2,1H3,(H,28,29)
InChIKeyCLOUNTOQZJPBOW-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.00
Rot. Bonds7

About 2-methoxy-1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone

2-methoxy-1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 54759926) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 2-methoxy-1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
PubChem CID54759926
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name2-methoxy-1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(c2cccnc2OC2CC(Nc3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C26H30N4O3/c1-32-17-25(31)30-13-10-18(11-14-30)22-6-4-12-27-26(22)33-21-15-20(16-21)28-24-9-8-19-5-2-3-7-23(19)29-24/h2-9,12,18,20-21H,10-11,13-17H2,1H3,(H,28,29)
InChIKeyCLOUNTOQZJPBOW-UHFFFAOYSA-N
XLogP4.00
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone (CID 54759926) is 2-methoxy-1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone is COCC(=O)N1CCC(c2cccnc2OC2CC(Nc3ccc4ccccc4n3)C2)CC1.
What is the InChIKey of 2-methoxy-1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is CLOUNTOQZJPBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-32-17-25(31)30-13-10-18(11-14-30)22-6-4-12-27-26(22)33-21-15-20(16-21)28-24-9-8-19-5-2-3-7-23(19)29-24/h2-9,12,18,20-21H,10-11,13-17H2,1H3,(H,28,29).
What are the key properties of 2-methoxy-1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone?
2-methoxy-1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 446.55 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 54759926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).